2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane

C13H16Cl2O2 — CID 83941141

IUPAC2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane
SMILESCCC1OC1CCc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C13H16Cl2O2/c1-3-11-12(17-11)5-4-8-6-9(14)7-10(15)13(8)16-2/h6-7,11-12H,3-5H2,1-2H3
InChIKeyIFMOVPWCSDBBHD-UHFFFAOYSA-N
MW275.17 g/mol
LogP4.11
Rot. Bonds5

About 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane

2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane (PubChem CID 83941141) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane
PubChem CID83941141
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane
SMILESCCC1OC1CCc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C13H16Cl2O2/c1-3-11-12(17-11)5-4-8-6-9(14)7-10(15)13(8)16-2/h6-7,11-12H,3-5H2,1-2H3
InChIKeyIFMOVPWCSDBBHD-UHFFFAOYSA-N
XLogP4.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523
N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
CID 115226065
2-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propyl]-3-ethyloxirane
CID 83938780
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
4-(3,5-dichloro-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924959
5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
CID 83941161
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
2-(3,5-dichloro-2-methoxyphenyl)ethyl-methylcyanamide
CID 117043509
N-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]carbamoyl bromide
CID 115193935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane?
The IUPAC name of 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane (CID 83941141) is 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane.
What is the SMILES notation for 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane?
The canonical SMILES for 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane is CCC1OC1CCc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane?
The InChIKey is IFMOVPWCSDBBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-3-11-12(17-11)5-4-8-6-9(14)7-10(15)13(8)16-2/h6-7,11-12H,3-5H2,1-2H3.
What are the key properties of 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane?
2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane has a molecular weight of 275.17 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]-3-ethyloxirane is sourced from PubChem (CID 83941141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).